5-nitro-N-(1-phenylethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(1-phenylethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(1-phenylethyl)-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-18(21-10-6-3-7-11-21)27-23-22(29(30)31)24(26-17-25-23)28-14-12-20(13-15-28)16-19-8-4-2-5-9-19/h2-11,17-18,20H,12-16H2,1H3,(H,25,26,27)